6-methylheptane-1,2,3,4,5-pentol

C8H18O5 — CID 20671736

IUPAC6-methylheptane-1,2,3,4,5-pentol
SMILESCC(C)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C8H18O5/c1-4(2)6(11)8(13)7(12)5(10)3-9/h4-13H,3H2,1-2H3
InChIKeyVVDQVGVVCXMMBN-UHFFFAOYSA-N
MW194.23 g/mol
LogP-1.92
Rot. Bonds5

About 6-methylheptane-1,2,3,4,5-pentol

6-methylheptane-1,2,3,4,5-pentol (PubChem CID 20671736) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-methylheptane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-methylheptane-1,2,3,4,5-pentol
PubChem CID20671736
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name6-methylheptane-1,2,3,4,5-pentol
SMILESCC(C)C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C8H18O5/c1-4(2)6(11)8(13)7(12)5(10)3-9/h4-13H,3H2,1-2H3
InChIKeyVVDQVGVVCXMMBN-UHFFFAOYSA-N
XLogP-1.92
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methylheptane-1,2,3,4,5-pentol?
The IUPAC name of 6-methylheptane-1,2,3,4,5-pentol (CID 20671736) is 6-methylheptane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-methylheptane-1,2,3,4,5-pentol?
The canonical SMILES for 6-methylheptane-1,2,3,4,5-pentol is CC(C)C(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-methylheptane-1,2,3,4,5-pentol?
The InChIKey is VVDQVGVVCXMMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5/c1-4(2)6(11)8(13)7(12)5(10)3-9/h4-13H,3H2,1-2H3.
What are the key properties of 6-methylheptane-1,2,3,4,5-pentol?
6-methylheptane-1,2,3,4,5-pentol has a molecular weight of 194.23 g/mol, XLogP of -1.92, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylheptane-1,2,3,4,5-pentol is sourced from PubChem (CID 20671736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).